Geometry & MOs

Info

ID:

107911

PubChem CID:

50223681

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-237.3

Dipole, Da:

8.31

IP(EA), eV:

 -8.56(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)C

DOS

IR

Vibrations